2-(3-oxo-1,4-benzothiazin-4-yl)-N-(2-piperidin-1-ylphenyl)acetamide

C21H23N3O2S — CID 51195953

IUPAC2-(3-oxo-1,4-benzothiazin-4-yl)-N-(2-piperidin-1-ylphenyl)acetamide
SMILESO=C(CN1C(=O)CSc2ccccc21)Nc1ccccc1N1CCCCC1
InChIInChI=1S/C21H23N3O2S/c25-20(14-24-18-10-4-5-11-19(18)27-15-21(24)26)22-16-8-2-3-9-17(16)23-12-6-1-7-13-23/h2-5,8-11H,1,6-7,12-15H2,(H,22,25)
InChIKeyGVRGGSOATFJHHI-UHFFFAOYSA-N
MW381.50 g/mol
LogP3.75
Rot. Bonds4

About 2-(3-oxo-1,4-benzothiazin-4-yl)-N-(2-piperidin-1-ylphenyl)acetamide

2-(3-oxo-1,4-benzothiazin-4-yl)-N-(2-piperidin-1-ylphenyl)acetamide (PubChem CID 51195953) has the molecular formula C21H23N3O2S and a molecular weight of 381.50 g/mol. Its IUPAC name is 2-(3-oxo-1,4-benzothiazin-4-yl)-N-(2-piperidin-1-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(3-oxo-1,4-benzothiazin-4-yl)-N-(2-piperidin-1-ylphenyl)acetamide
PubChem CID51195953
Molecular FormulaC21H23N3O2S
Molecular Weight381.50 g/mol
Exact Mass381.15
IUPAC Name2-(3-oxo-1,4-benzothiazin-4-yl)-N-(2-piperidin-1-ylphenyl)acetamide
SMILESO=C(CN1C(=O)CSc2ccccc21)Nc1ccccc1N1CCCCC1
InChIInChI=1S/C21H23N3O2S/c25-20(14-24-18-10-4-5-11-19(18)27-15-21(24)26)22-16-8-2-3-9-17(16)23-12-6-1-7-13-23/h2-5,8-11H,1,6-7,12-15H2,(H,22,25)
InChIKeyGVRGGSOATFJHHI-UHFFFAOYSA-N
XLogP3.75
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-methylpiperazin-1-yl)phenyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 18196164
N-(2-bromophenyl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 18195793
N-(4-hydroxyphenyl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 51073879
2-(3-oxo-1,4-benzothiazin-4-yl)-N-(2-piperidin-1-ylethyl)acetamide
CID 5115832
N-(2,5-dibromophenyl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 39166500
N-[2-(azepan-1-yl)phenyl]-2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetamide
CID 128925593
N-(2,6-dimethylphenyl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 18195903
2-(2-oxoazepan-1-yl)-N-(2-pyrrolidin-1-ylphenyl)acetamide
CID 30583518
N-(2-bromo-4-methylphenyl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 30692312
N-(5-fluoro-2-methylphenyl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 30688297
N-(4-chlorophenyl)-2-[[2-(3-oxo-1,4-benzothiazin-4-yl)acetyl]amino]benzamide
CID 55466378
N-(3-ethylpent-1-yn-3-yl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 18165935

Frequently Asked Questions

What is the IUPAC name of 2-(3-oxo-1,4-benzothiazin-4-yl)-N-(2-piperidin-1-ylphenyl)acetamide?
The IUPAC name of 2-(3-oxo-1,4-benzothiazin-4-yl)-N-(2-piperidin-1-ylphenyl)acetamide (CID 51195953) is 2-(3-oxo-1,4-benzothiazin-4-yl)-N-(2-piperidin-1-ylphenyl)acetamide.
What is the SMILES notation for 2-(3-oxo-1,4-benzothiazin-4-yl)-N-(2-piperidin-1-ylphenyl)acetamide?
The canonical SMILES for 2-(3-oxo-1,4-benzothiazin-4-yl)-N-(2-piperidin-1-ylphenyl)acetamide is O=C(CN1C(=O)CSc2ccccc21)Nc1ccccc1N1CCCCC1.
What is the InChIKey of 2-(3-oxo-1,4-benzothiazin-4-yl)-N-(2-piperidin-1-ylphenyl)acetamide?
The InChIKey is GVRGGSOATFJHHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2S/c25-20(14-24-18-10-4-5-11-19(18)27-15-21(24)26)22-16-8-2-3-9-17(16)23-12-6-1-7-13-23/h2-5,8-11H,1,6-7,12-15H2,(H,22,25).
What are the key properties of 2-(3-oxo-1,4-benzothiazin-4-yl)-N-(2-piperidin-1-ylphenyl)acetamide?
2-(3-oxo-1,4-benzothiazin-4-yl)-N-(2-piperidin-1-ylphenyl)acetamide has a molecular weight of 381.50 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-oxo-1,4-benzothiazin-4-yl)-N-(2-piperidin-1-ylphenyl)acetamide is sourced from PubChem (CID 51195953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).